Materials Data on Er10Ga5Co by Materials Project

Abstract

Er10CoGa5 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded to five Ga atoms to form distorted ErGa5 trigonal bipyramids that share corners with ten ErGa5 trigonal bipyramids, edges with four equivalent ErGa4Co trigonal bipyramids, and a faceface with one ErGa5 trigonal bipyramid. There are a spread of Er–Ga bond distances ranging from 3.01–3.12 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to one Co and four Ga atoms. The Er–Co bond length is 2.96 Å. There are two shorter (3.05 Å) and two longer (3.11 Å) Er–Ga bond lengths. In the third Er site, Er is bonded to one Co and four Ga atoms to form distorted ErGa4Co trigonal bipyramids that share corners with eight ErGa5 trigonal bipyramids, edges with five ErGa5 trigonal bipyramids, and a faceface with one ErGa4Co trigonal bipyramid. The Er–Co bond length is 2.92 Å. There are a spread of Er–Ga bond distances ranging from 2.96–3.21 Å. In the fourth Er site, Er is bonded in a 4-coordinate geometry to one Co and five Ga atoms. The Er–Co bond length is 2.87 Å. There are a spread of Er–Ga bond distances ranging from 2.98–3.46 Å. Co is bonded in a 9-coordinate geometry to eight Er and one Ga atom. The Co–Ga bond length is 2.63 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to ten Er atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to eight Er and one Co atom. In the third Ga site, Ga is bonded in a 9-coordinate geometry to eight Er and one Ga atom. The Ga–Ga bond length is 2.63 Å.